N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H21ClN4 — CID 44599070

IUPACN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)/t18-/m0/s1
InChIKeyJQCWNEXLKSGUJQ-SFHVURJKSA-N
MW340.86 g/mol
LogP4.29
Rot. Bonds4

About N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44599070) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44599070
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)/t18-/m0/s1
InChIKeyJQCWNEXLKSGUJQ-SFHVURJKSA-N
XLogP4.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[2-chloro-5-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 44594371
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 44599070) is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Clc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is JQCWNEXLKSGUJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-16-5-3-14(4-6-16)12-24-9-1-2-18(13-24)22-17-7-8-19-15(10-17)11-21-23-19/h3-8,10-11,18,22H,1-2,9,12-13H2,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 340.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44599070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).